SCHEMBL913663

SCHEMBL913663

COC(=O)C1(NC(=O)c2ccc(-c3ccccc3Cl)c(-c3ccc(Cl)c(OCCCN(C)C)c3)n2)C2CC3CC(C2)CC1C3

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 4/20 0.36
NTSR2 O95665 1/20 0.36
CNR2 P34972 5/20 0.35
ATM Q13315 2/20 0.34
SLC6A9 P48067 2/20 0.34
CHEK1 O14757 2/20 0.34
WEE1 P30291 2/20 0.34
PAICS P22234 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CDK1 P06493 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR7 P34969 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2488948 0.94 NTSR1 (0.40) NTSR1NTSR2CNR2ATMSLC6A9
Hydrochloric Acid SCHEMBL544195 0.93 NTSR1 (0.41) NTSR1NTSR2CNR2ATMSLC6A9
Hydrochloric Acid SCHEMBL544901 0.88 NTSR1 (0.45) NTSR1NTSR2CNR2KDM4E
SCHEMBL16493619 0.88 NTSR1 (0.41) NTSR1NTSR2CNR2ATMPAICS
Hydrochloric Acid SCHEMBL544132 0.87 NTSR1 (0.40) NTSR1NTSR2CNR2ATMSLC6A9
Hydrochloric Acid SCHEMBL16493801 0.87 SLC6A9 (0.35) NTSR1CNR2ATMSLC6A9CHEK1
Hydrochloric Acid SCHEMBL544553 0.87 NTSR1 (0.42) NTSR1NTSR2CNR2ATMPAICS
Hydrochloric Acid SCHEMBL544420 0.87 NTSR1 (0.40) NTSR1NTSR2CNR2ATMPAICS
Hydrochloric Acid SCHEMBL544987 0.87 NTSR1 (0.40) NTSR1NTSR2CNR2ATMPAICS
Hydrochloric Acid SCHEMBL544785 0.85 NTSR1 (0.39) NTSR1NTSR2CNR2ATMPAICS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466292-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation thereof and therapeutic application thereof as urotensin II receptor antagonists SANOFI (FR) 2013-06-18 US claimed
EP-2238110-B1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI SA (FR) 2011-10-26 EP claimed
US-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-13 US claimed
US-8653276-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation thereof and therapeutic application thereof as urotensin II receptor antagonists SANOFI (FR) 2014-02-18 US disclosed
US-20130252974-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI (FR) 2013-09-26 US disclosed
US-8466292-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation thereof and therapeutic application thereof as urotensin II receptor antagonists SANOFI (FR) 2013-06-18 US disclosed
US-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 NTSR1 13/4885NTSR2 3/4885CNR2 15/4885
US-20130252974-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 NTSR1 13/4885NTSR2 3/4885CNR2 15/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.